4,4,5,6-tetrafluoro-5,6-dimethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide

C5H7F4NO4S2 — CID 154554028

IUPAC4,4,5,6-tetrafluoro-5,6-dimethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESCC1(F)C(C)(F)S(=O)(=O)NS(=O)(=O)C1(F)F
InChIInChI=1S/C5H7F4NO4S2/c1-3(6)4(2,7)15(11,12)10-16(13,14)5(3,8)9/h10H,1-2H3
InChIKeyBSIXUASKXLWKPJ-UHFFFAOYSA-N
MW285.24 g/mol
LogP0.26
Rot. Bonds

About 4,4,5,6-tetrafluoro-5,6-dimethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide

4,4,5,6-tetrafluoro-5,6-dimethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide (PubChem CID 154554028) has the molecular formula C5H7F4NO4S2 and a molecular weight of 285.24 g/mol. Its IUPAC name is 4,4,5,6-tetrafluoro-5,6-dimethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide.

Molecular Properties

Compound Name4,4,5,6-tetrafluoro-5,6-dimethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
PubChem CID154554028
Molecular FormulaC5H7F4NO4S2
Molecular Weight285.24 g/mol
Exact Mass284.98
IUPAC Name4,4,5,6-tetrafluoro-5,6-dimethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide
SMILESCC1(F)C(C)(F)S(=O)(=O)NS(=O)(=O)C1(F)F
InChIInChI=1S/C5H7F4NO4S2/c1-3(6)4(2,7)15(11,12)10-16(13,14)5(3,8)9/h10H,1-2H3
InChIKeyBSIXUASKXLWKPJ-UHFFFAOYSA-N
XLogP0.26
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,6-tetrafluoro-5,6-dimethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The IUPAC name of 4,4,5,6-tetrafluoro-5,6-dimethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide (CID 154554028) is 4,4,5,6-tetrafluoro-5,6-dimethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide.
What is the SMILES notation for 4,4,5,6-tetrafluoro-5,6-dimethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The canonical SMILES for 4,4,5,6-tetrafluoro-5,6-dimethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide is CC1(F)C(C)(F)S(=O)(=O)NS(=O)(=O)C1(F)F.
What is the InChIKey of 4,4,5,6-tetrafluoro-5,6-dimethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
The InChIKey is BSIXUASKXLWKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F4NO4S2/c1-3(6)4(2,7)15(11,12)10-16(13,14)5(3,8)9/h10H,1-2H3.
What are the key properties of 4,4,5,6-tetrafluoro-5,6-dimethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide?
4,4,5,6-tetrafluoro-5,6-dimethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide has a molecular weight of 285.24 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,6-tetrafluoro-5,6-dimethyl-1,3,2-dithiazinane 1,1,3,3-tetraoxide is sourced from PubChem (CID 154554028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).